Geometry & MOs

Info

ID:	128765
PubChem CID:	51057400
Reduced:	ClNO4H12C13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	315.077454
ΔH_f, kcal/mol:	-107.84
Dipole, Da:	7.08
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC(=C(C(=C1)Cl)O)OC)/C#N

DOS

IR

Vibrations